| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2004 | 24 | No |
Popular Name: Sinomenine Sinomenine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 115-53-7 , 6080-33-7 , [115-53-7] , [6080-33-7]
(9alpha,13alpha,14alpha)-4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one
4-hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one
4-hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one hydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.85 | 6.37 | -62.26 | 2 | 5 | 1 | 60 | 330.404 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 4.14 | -13.78 | 1 | 5 | 0 | 59 | 329.396 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98% | Fluorochem |
| Indications | anti-inflammatory, rheumatoid arthritis | KeyOrganics Bioactives |
| Indications | antiinflammatory, rheumatoid arthritis | KeyOrganics Bioactives |
| PUBCHEM_PATENT_ID | EP0931544A2; EP1056455A1; US4230712; US4242514; US4272541; US4423221; US6123943; WO1999042105A1 | IBM Patent Data |
| Target | Nuclear receptor subfamily 1 group I member 2(O75469)&Intercellular adhesion molecule 1(P05362)&Interleukin-8(P10145)&Transcription factor p65(Q04206)&Signal transducer and activator of transcription 1-alpha/beta(P42224)&Interferon regulatory factor 1(P10 | Herbal Ingredients Targets |
| Target | Others | Selleck Chemicals |
| therap | weak abortifacient, immunosuppressant, analgesic, antiinflammatory; LD50 (po) 580 mg/kg; (ip) 285 mg/kg(mouse) | MicroSource Spectrum |
